N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C19H15N5O3S — CID 71728055

IUPACN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2cnccc2[nH]1
InChIInChI=1S/C19H15N5O3S/c25-19(17-8-13-9-20-7-6-16(13)24-17)23-12-18-21-10-15(11-22-18)28(26,27)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,23,25)
InChIKeyOZRAQAXRCJTJKY-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.12
Rot. Bonds5

About N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 71728055) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID71728055
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2cnccc2[nH]1
InChIInChI=1S/C19H15N5O3S/c25-19(17-8-13-9-20-7-6-16(13)24-17)23-12-18-21-10-15(11-22-18)28(26,27)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,23,25)
InChIKeyOZRAQAXRCJTJKY-UHFFFAOYSA-N
XLogP2.12
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 71728055) is N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is OZRAQAXRCJTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-19(17-8-13-9-20-7-6-16(13)24-17)23-12-18-21-10-15(11-22-18)28(26,27)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,23,25).
What are the key properties of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 71728055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).